3,6-dihydro-2H-pyran-3-yl acetate

C7H10O3 — CID 67607468

IUPAC3,6-dihydro-2H-pyran-3-yl acetate
SMILESCC(=O)OC1C=CCOC1
InChIInChI=1S/C7H10O3/c1-6(8)10-7-3-2-4-9-5-7/h2-3,7H,4-5H2,1H3
InChIKeyJZVCWPQTXYAUAT-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.50
Rot. Bonds1

About 3,6-dihydro-2H-pyran-3-yl acetate

3,6-dihydro-2H-pyran-3-yl acetate (PubChem CID 67607468) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyran-3-yl acetate.

Molecular Properties

Compound Name3,6-dihydro-2H-pyran-3-yl acetate
PubChem CID67607468
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name3,6-dihydro-2H-pyran-3-yl acetate
SMILESCC(=O)OC1C=CCOC1
InChIInChI=1S/C7H10O3/c1-6(8)10-7-3-2-4-9-5-7/h2-3,7H,4-5H2,1H3
InChIKeyJZVCWPQTXYAUAT-UHFFFAOYSA-N
XLogP0.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyran-3-yl acetate?
The IUPAC name of 3,6-dihydro-2H-pyran-3-yl acetate (CID 67607468) is 3,6-dihydro-2H-pyran-3-yl acetate.
What is the SMILES notation for 3,6-dihydro-2H-pyran-3-yl acetate?
The canonical SMILES for 3,6-dihydro-2H-pyran-3-yl acetate is CC(=O)OC1C=CCOC1.
What is the InChIKey of 3,6-dihydro-2H-pyran-3-yl acetate?
The InChIKey is JZVCWPQTXYAUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-6(8)10-7-3-2-4-9-5-7/h2-3,7H,4-5H2,1H3.
What are the key properties of 3,6-dihydro-2H-pyran-3-yl acetate?
3,6-dihydro-2H-pyran-3-yl acetate has a molecular weight of 142.15 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyran-3-yl acetate is sourced from PubChem (CID 67607468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).